N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide

C11H13Cl2N3O2 — CID 61095227

IUPACN-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
SMILESCC(=O)NCCNC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-6(17)15-2-3-16-11(18)7-4-8(12)10(13)9(14)5-7/h4-5H,2-3,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyZVVKRDYOHUAARJ-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.44
Rot. Bonds4

About N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide

N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide (PubChem CID 61095227) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
PubChem CID61095227
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC NameN-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
SMILESCC(=O)NCCNC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2N3O2/c1-6(17)15-2-3-16-11(18)7-4-8(12)10(13)9(14)5-7/h4-5H,2-3,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyZVVKRDYOHUAARJ-UHFFFAOYSA-N
XLogP1.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
CID 61092538
3-amino-4,5-dichloro-N-hex-5-ynylbenzamide
CID 106208113
3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62845335
N-(2-acetamidoethyl)-4-amino-3-chloro-5-nitrobenzamide
CID 62155140
3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide
CID 61140669
3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514817
3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61139466
3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238860
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123513
3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
CID 114118479

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide (CID 61095227) is N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide is CC(=O)NCCNC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide?
The InChIKey is ZVVKRDYOHUAARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-6(17)15-2-3-16-11(18)7-4-8(12)10(13)9(14)5-7/h4-5H,2-3,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide?
N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide has a molecular weight of 290.15 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide is sourced from PubChem (CID 61095227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).